Information card for entry 2238588

Structure parameters

• Chemical name: 1,2-Ethylenediaminium bis(2-benzamidobenzoate)
• Formula: C30 H30 N4 O6
• Calculated formula: C30 H30 N4 O6
• SMILES: c1(ccccc1)C(=O)Nc1ccccc1C(=O)[O-].C([NH3+])C[NH3+].c1(ccccc1)C(=O)Nc1ccccc1C(=O)[O-]
• Title of publication: 1,2-Ethylenediaminium bis(2-benzamidobenzoate)
• Authors of publication: Ziyaev, Mavlonbek; Ashurov, Jamshid; Talipov, Samat; Ibragimov, Bakhtiyar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: o1388
• a: 5.314 ± 0.001 Å
• b: 13.745 ± 0.002 Å
• c: 18.58 ± 0.004 Å
• α: 90°
• β: 93.66 ± 0.02°
• γ: 90°
• Cell volume: 1354.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes